ChemSpider 2D Image | 3-[4-(2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}ethoxy)phenyl]-1-phenyl-2-propen-1-one | C27H25ClF3N3O2

3-[4-(2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}ethoxy)phenyl]-1-phenyl-2-propen-1-one

  • Molecular FormulaC27H25ClF3N3O2
  • Average mass515.955 Da
  • Monoisotopic mass515.158752 Da
  • ChemSpider ID2933753

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Propen-1-one, 3-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]ethoxy]phenyl]-1-phenyl- [ACD/Index Name]
3-[4-(2-{4-[3-Chlor-5-(trifluormethyl)-2-pyridinyl]-1-piperazinyl}ethoxy)phenyl]-1-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
3-[4-(2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}ethoxy)phenyl]-1-phenyl-2-propen-1-one [ACD/IUPAC Name]
3-[4-(2-{4-[3-Chloro-5-(trifluorométhyl)-2-pyridinyl]-1-pipérazinyl}éthoxy)phényl]-1-phényl-2-propén-1-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 637.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 339.2±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 134.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.58
ACD/LogD (pH 5.5): 6.15
ACD/BCF (pH 5.5): 21882.07
ACD/KOC (pH 5.5): 33326.12
ACD/LogD (pH 7.4): 6.58
ACD/BCF (pH 7.4): 59147.44
ACD/KOC (pH 7.4): 90080.81
Polar Surface Area: 46 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 397.8±3.0 cm3

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